Unofficial Docker Image for VOTCA
VOTCA is a software package which focuses on the analysis of molecular dynamics
data, the development of systematic coarse-graining techniques as well as
methods used for simulating microscopic charge and exciton transport in
disordered semiconductors. Its C++ core is interfaced to bash and perl
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the
Newtonian equations of motion for systems with hundreds to millions of particles.
$ docker run -it with/votca